SCHEMBL3986480

SCHEMBL3986480

CC1=C[C@@H](C(C)C)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
TAS2R46 P59540 2/20 0.30
MET P08581 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3986484 1.00 USP2 (0.37) USP2TAS2R46MET
SCHEMBL15418342 0.76 CYP19A1 (0.30)
SCHEMBL7764562 0.73
SCHEMBL3864907 0.71
SCHEMBL20523375 0.70
SCHEMBL7598487 0.67
SCHEMBL3863045 0.67 TAS2R46 (0.30) TAS2R46
SCHEMBL20184153 0.65 OAT (0.44)
SCHEMBL3032655 0.65
SCHEMBL15635514 0.65 NFE2L2 (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501535-B2 Chemical synthons and intermediates PURDUE RESEARCH FOUNDATION (US) 2009-03-10 US disclosed
US-7501535-B2 Chemical synthons and intermediates PURDUE RESEARCH FOUNDATION (US) 2009-03-10 US disclosed
US-7501535-B2 Chemical synthons and intermediates PURDUE RESEARCH FOUNDATION (US) 2009-03-10 US disclosed
US-20040138485-A1 Chemical synthons and intermediates PURDUE RESEARCH FOUNDATION 2004-07-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138485-A1 Chemical synthons and intermediates STS, TST, CBS USP2 3774/4885TAS2R46 3576/4885MET 4202/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.